CID 71361206

32113-53-4

Structural Information

Molecular Formula
C19H39O6P
SMILES
CCCCCCCCCCCCCCCCOCC(=O)COP(=O)(O)O
InChI
InChI=1S/C19H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h2-18H2,1H3,(H2,21,22,23)
InChIKey
KFZPNXQHABIFMZ-UHFFFAOYSA-N
Compound name
(3-hexadecoxy-2-oxopropyl) dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

394.2484 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.25568 199.7
[M+Na]+ 417.23762 203.2
[M-H]- 393.24112 190.4
[M+NH4]+ 412.28222 199.1
[M+K]+ 433.21156 197.6
[M+H-H2O]+ 377.24566 196.4
[M+HCOO]- 439.24660 212.2
[M+CH3COO]- 453.26225 219.3
[M+Na-2H]- 415.22307 201.6
[M]+ 394.24785 197.7
[M]- 394.24895 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.